(E,4S)-10-tri(propan-2-yl)silyloxydec-2-en-5-yne-1,4-diol

C19H36O3Si — CID 178072149

IUPAC(E,4S)-10-tri(propan-2-yl)silyloxydec-2-en-5-yne-1,4-diol
SMILESCC(C)[Si](OCCCCC#C[C@@H](O)/C=C/CO)(C(C)C)C(C)C
InChIInChI=1S/C19H36O3Si/c1-16(2)23(17(3)4,18(5)6)22-15-10-8-7-9-12-19(21)13-11-14-20/h11,13,16-21H,7-8,10,14-15H2,1-6H3/b13-11+/t19-/m1/s1
InChIKeyYZFYZZUAIHCMFN-XSSIKURBSA-N
MW340.58 g/mol
LogP4.26
Rot. Bonds10

About (E,4S)-10-tri(propan-2-yl)silyloxydec-2-en-5-yne-1,4-diol

(E,4S)-10-tri(propan-2-yl)silyloxydec-2-en-5-yne-1,4-diol (PubChem CID 178072149) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is (E,4S)-10-tri(propan-2-yl)silyloxydec-2-en-5-yne-1,4-diol.

Molecular Properties

Compound Name(E,4S)-10-tri(propan-2-yl)silyloxydec-2-en-5-yne-1,4-diol
PubChem CID178072149
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name(E,4S)-10-tri(propan-2-yl)silyloxydec-2-en-5-yne-1,4-diol
SMILESCC(C)[Si](OCCCCC#C[C@@H](O)/C=C/CO)(C(C)C)C(C)C
InChIInChI=1S/C19H36O3Si/c1-16(2)23(17(3)4,18(5)6)22-15-10-8-7-9-12-19(21)13-11-14-20/h11,13,16-21H,7-8,10,14-15H2,1-6H3/b13-11+/t19-/m1/s1
InChIKeyYZFYZZUAIHCMFN-XSSIKURBSA-N
XLogP4.26
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.58
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol
CID 102518304
(3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol
CID 134857299
(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol
CID 134858684
(6E,10E)-7,11,15-trimethyl-5-tri(propan-2-yl)silyloxyhexadeca-6,10,14-trien-2-yn-1-ol
CID 134875012
(3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol
CID 134974570
(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol
CID 134974571
(2E,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxyheptadeca-2,9-dien-4,6-diyn-1-ol
CID 134974572
(2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol
CID 135068695
(Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol
CID 135074622
(E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol
CID 138981962
(E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol
CID 146162327
(E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol
CID 146162787

Frequently Asked Questions

What is the IUPAC name of (E,4S)-10-tri(propan-2-yl)silyloxydec-2-en-5-yne-1,4-diol?
The IUPAC name of (E,4S)-10-tri(propan-2-yl)silyloxydec-2-en-5-yne-1,4-diol (CID 178072149) is (E,4S)-10-tri(propan-2-yl)silyloxydec-2-en-5-yne-1,4-diol.
What is the SMILES notation for (E,4S)-10-tri(propan-2-yl)silyloxydec-2-en-5-yne-1,4-diol?
The canonical SMILES for (E,4S)-10-tri(propan-2-yl)silyloxydec-2-en-5-yne-1,4-diol is CC(C)[Si](OCCCCC#C[C@@H](O)/C=C/CO)(C(C)C)C(C)C.
What is the InChIKey of (E,4S)-10-tri(propan-2-yl)silyloxydec-2-en-5-yne-1,4-diol?
The InChIKey is YZFYZZUAIHCMFN-XSSIKURBSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-16(2)23(17(3)4,18(5)6)22-15-10-8-7-9-12-19(21)13-11-14-20/h11,13,16-21H,7-8,10,14-15H2,1-6H3/b13-11+/t19-/m1/s1.
What are the key properties of (E,4S)-10-tri(propan-2-yl)silyloxydec-2-en-5-yne-1,4-diol?
(E,4S)-10-tri(propan-2-yl)silyloxydec-2-en-5-yne-1,4-diol has a molecular weight of 340.58 g/mol, XLogP of 4.26, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-10-tri(propan-2-yl)silyloxydec-2-en-5-yne-1,4-diol is sourced from PubChem (CID 178072149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).